⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28596331 | 0.95 | CYP2D6 (0.50) | — | |
| Decarboxylated Derivative SCHEMBL28037171 | 0.92 | CYP2D6 (0.53) | — | |
| SCHEMBL3692762 | 0.83 | NCF1 (0.48) | — | |
| SCHEMBL19455 | 0.83 | — | — | |
| SCHEMBL9630437 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL17446 | 0.80 | — | — | |
| SCHEMBL3058521 | 0.80 | PLG (0.48) | — | |
| Decarboxylated Derivative SCHEMBL27363844 | 0.79 | CYP2D6 (0.50) | — | |
| Formic Acid SCHEMBL15823576 | 0.78 | PLG (0.40) | — | |
| Formic Acid SCHEMBL29242885 | 0.78 | PLG (0.45) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109232613-A | For treating and preventing the condensed heteroaryl dihydro-pyrimidin of hepatitis b virus infected new 6- | 豪夫迈·罗氏有限公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-109053742-A | New tricyclic compound | ABBVIE 公司 | 2018-12-21 | — | — | CN | disclosed |
| CN-108774237-A | New tricyclic compound | ABBVIE 公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-104370909-B | Tricyclic compound | ABBVIE 公司 | 2018-09-11 | — | — | CN | disclosed |
| CN-106661002-A | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | 纽韦卢森公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-106061978-A | Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis b virus infections | 豪夫迈·罗氏有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-104370909-A | Novel tricyclic compounds | ABBOTT LAB | 2015-02-25 | — | — | CN | disclosed |
| CN-102711476-B | Novel tricyclic compounds | ABBVIE LAB | 2014-12-03 | — | — | CN | disclosed |
| CN-102711476-A | Novel tricyclic compounds | ABBOTT LAB | 2012-10-03 | — | — | CN | disclosed |